3-(acetamidomethyl)-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid

Systemtic Name: 3-(acetamidomethyl)-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Openeye Name: 3-(acetamidomethyl)-4-[4-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-(acetamidomethyl)-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid IUPAC Name: 3-(acetamidomethyl)-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 3-(acetamidomethyl)-4-(4-tosyloxyphenyl)butyric acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(CC(=O)O)CNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(CC(=O)O)CNC(=O)C

InChI

InChI=1S/C20H23NO6S/c1-14-3-9-19(10-4-14)28(25,26)27-18-7-5-16(6-8-18)11-17(12-20(23)24)13-21-15(2)22/h3-10,17H,11-13H2,1-2H3,(H,21,22)(H,23,24)